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  • Title: Design, synthesis, herbicidal activity and CoMFA of aryl-formyl piperidinone HPPD inhibitors.
    Author: Fu Y, Wang M, Zhao LX, Zhang SQ, Liu YX, Guo YY, Zhang D, Gao S, Ye F.
    Journal: Pestic Biochem Physiol; 2021 May; 174():104811. PubMed ID: 33838713.
    Abstract:
    Isoxazole, nicotinic acid and benzoic acid are important components in many natural products and useful synthons to build macrostructures having valuable biological activities. In continuation of our effort to discover 4-hydroxyphenylpyruvate dioxygenase (HPPD, EC 1.13.11.27) inhibitors and search for active fragments from natural products, a series of substituted aryl-formyl piperidinone derivatives with natural product fragments was rationally designed, synthesized and tested for their herbicidal activity. Compound I-9 was considered the most effective candidate with an IC50 value of 0.260 μM. The molecular docking results showed that the triketone group of compound I-9 forms a bidentate complex with a metal ion, and the benzene ring interacted with Phe424 and Phe381 via π-π stacking, which was similar to the mechanisms of mesotrione. The present work indicates that compound I-9 may serve as a potential lead compound for further development of green HPPD inhibitors.
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